Results for:
PubChem ID: 6276

Pentan-1-ol

Mass-Spectra

Compound Details

Synonymous names
Butylcarbinol
pentylalcohol
Pentylalkohol
amylalcohol
Amylalkohol
Pentalcohol
AMQJEAYHLZJPGS-UHFFFAOYSA-N
Pentanol
Pentanols
Pentasol
Alcool amylique
Amylol
n-Butylcarbinol
n-pentylalcohol
Valeric alcohol
Butyl carbinol
n-Amylalkohol
Pentyl alcohol
pentyl-alcohol
Amyl alcohol
Primary amyl alcohol
1-hydroxypentyl
Amyl alcohol normal
l-pentanol
n-Pentanol
AC1Q2WLD
Amyl Alcohol Reagent Grade
N-PENTYL ALCOHOL
n-pentyl-alcohol
PE9
1-Pentanol
C5 alcohol
N-Amyl alcohol
Pentanol-1
Amyl alcohol, primary
Primary-N-amyl alcohol
1-Pentyl alcohol
AC1L1M6C
Amyl alcohol, normal
Pentanol, mixture of isomers
1-Pentanol, analytical standard
Alcool amylique (french)
Alcool amylique [French]
KSC222G6D
Pentan-1-ol
ACMC-209oij
Amyl alcohol (natural)
CHEMBL14568
NSC5707
Pentanol (VAN)
Petan-1-ol
UN1105
Amyl Alcohol (Fragrance Grade)
BDBM22603
CTK1C2361
HMDB13036
HSDB 111
N-amylalkohol (czech)
n-Amylalkohol [Czech]
n-C5H11OH
P0055
WLN: Q5
Amyl alcohol, n-
C16834
HMS3039G16
LTBB001118
M9L931X26Y
n-Pentan-1-ol
DTXSID6021741
FEMA Number 2056
LP082894
LP108044
LS-1604
NSC 5707
NSC-5707
STL282712
UNII-2NK7O363Q6 component AMQJEAYHLZJPGS-UHFFFAOYSA-N
1-Pentanol, pharmaceutical secondary standard; traceable to USP
CHEBI:44884
DSSTox_CID_1741
UNII-M9L931X26Y
ZINC1687154
AN-41949
ANW-36041
CJ-27907
DSSTox_GSID_21741
TRA0035736
DSSTox_RID_76301
LMFA05000112
MFCD00002977
MFCD01075169
ZINC01687154
AI3-01293
RTR-023494
TR-023494
1-Pentanol, United States Pharmacopeia (USP) Reference Standard
AKOS009031407
Amyl alcohol, >=99%, FG
BRN 1730975
FEMA No. 2056
FT-0608201
MLS002415674
SMR001370872
71-41-0
Pentanol mixture of isomers, for determination of fat in milk according to Gerber
Tox21_201107
1-Pentanol, ACS reagent, >=99%
F0001-1831
Z1259339786
CAS-71-41-0
MCULE-8714292632
NCGC00091726-01
NCGC00091726-02
NCGC00258659-01
1-Pentanol, ReagentPlus(R), >=99%
EINECS 200-752-1
Pentanols [UN1105] [Flammable liquid]
30899-19-5
EC 200-752-1
1-Pentanol, 98% 500ml
1-Pentanol, SAJ special grade, >=99.0%
MolPort-001-783-728
1-Pentanol, SAJ first grade, >=97.0%
26067-EP2269995A1
26067-EP2272849A1
26067-EP2274983A1
26067-EP2275413A1
26067-EP2281821A1
26067-EP2287147A2
26067-EP2287156A1
26067-EP2287158A1
26067-EP2308857A1
26067-EP2311807A1
26067-EP2311808A1
26067-EP2311829A1
26067-EP2314558A1
26067-EP2371797A1
26067-EP2371798A1
26067-EP2375479A1
28289-EP2287165A2
28289-EP2287166A2
28289-EP2292613A1
28289-EP2292620A2
28289-EP2308848A1
28289-EP2314577A1
33442-EP2295411A1
33442-EP2311815A1
78721-EP2269986A1
78721-EP2272817A1
78721-EP2292616A1
78721-EP2298768A1
78721-EP2301919A1
78721-EP2305667A2
78721-EP2305687A1
78721-EP2380568A1
89671-EP2298749A1
89671-EP2305033A1
37411-22-6 (magnesium salt)
1-Pentanol, p.a., 98.0%
4-01-00-01640 (Beilstein Handbook Reference)
1-Pentanol, puriss. p.a., ACS reagent, >=99.0% (GC)
InChI=1/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H
Microorganism:

Yes

IUPAC namepentan-1-ol
SMILESCCCCCO
InchiInChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3
FormulaCH3(CH2)3CH2OH
PubChem ID6276
Molweight88.15
LogP1.25
Atoms18
Bonds17
H-bond Acceptor1
H-bond Donor1
Chemical Classificationalcohols

mVOC Specific Details

Volatilization
The Henry's Law constant for n-pentyl alcohol is 1.3X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that n-pentyl alcohol is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec) (2) is estimated as 43 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) (2) is estimated as 23 days(SRC) The potential for volatilization of n-pentyl alcohol from dry soil surfaces may exist(SRC) based upon a vapor pressure of 2.2 mm Hg(3).
Literature: (1) Butler JAV et al. J Chem Soc 280-285 (1935) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Riddick JA et al; Organic Solvents Vol 2 4th ed. NY, NY: John Wiley & Sons, p. 205-7 (1986)
Soil Adsorption
The Koc of n-pentyl alcohol is estimated as 160(SRC), using a log Kow of 1.51(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that n-pentyl alcohol is expected to have moderate mobility in soil.
Literature: (1) Sangster J; LOGKOW Databank. A databank of evaluated octanol-water partition coefficients (Log P) on microcomputer diskette. Montreal, Quebec, Canada: Sangster Research Laboratories (1994) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods NY, NY: McGraw-Hill pp. 4-9 (1982) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
2.2 mm Hg at 25 deg CRiddick, J.A., W.B. Bunger, Sakano T.K. Techniques of Chemistry 4th ed., Volume II. Organic Solvents. New York, NY: John Wiley and Sons., 1985., p. 207
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBacillus Amyloliquefaciens IN937an/aLee et al., 2012
BacteriaBacillus Subtilis GB03n/aLee et al., 2012
BacteriaClostridium Difficileoutbreak 2006 UKRees et al 2016
BacteriaLactobacillus Sakei CIRM467TnaSake starterPogačić et al., 2016
FungiChaetomium GlobosumSchleibinger et al.,2005
FungiMuscodor Albus CZ-620n/aCorcuff et al., 2011
FungiTrichodema Pseudokoningiin/aWheatley et al., 1997
FungiXylaria Sp.naHaematoxylon brasiletto, Morelos, MexicoSánchez-Ortiz et al., 2016
FungiArmillaria Mellean/aMueller et al., 2013
FungiAspergillus Flavus NRRL 18543n/aBeck et al., 2012
FungiAspergillus Flavus NRRL 25347n/aBeck et al., 2012
FungiAspergillus Niger NRRL 326n/aBeck et al., 2012
FungiAspergillus Parasiticus NRRL 5862n/aBeck et al., 2012
FungiFusarium Graminearum 15AcDONn/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON 1001tan/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON ZFR 29n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_4n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_5n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_6n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_7n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_8n/aBusko et al., 2014
FungiFusarium Graminearum 15AcDON_9n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 1002tn/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 11791n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 1509n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON 8046n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON NRRL38369n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON NRRL6394n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 15n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 37n/aBusko et al., 2014
FungiFusarium Graminearum 3AcDON ZFR 51n/aBusko et al., 2014
FungiFusarium Graminearum NIVn/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 119n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 23n/aBusko et al., 2014
FungiFusarium Graminearum NIV ZFR 48n/aBusko et al., 2014
FungiFusarium Graminearum NIV_5n/aBusko et al., 2014
FungiFusarium Graminearum NIV_6n/aBusko et al., 2014
FungiFusarium Graminearum NIV_7n/aBusko et al., 2014
FungiFusarium Graminearum NIV_8n/aBusko et al., 2014
FungiFusarium Graminearum NIV_9n/aBusko et al., 2014
FungiPenicillium Glabrum NRRL 766n/aBeck et al., 2012
FungiPholiota Squarrosan/aMueller et al., 2013
FungiPleurotus CystidiosusnanaUsami et al., 2014
FungiPleurotus Eryngii Var. TuoliensisnanaUsami et al., 2014
FungiRhizopus Stolonifer NRRL 54667n/aBeck et al., 2012
FungiStropharia Rugosoannulatan/aMueller et al., 2013
FungiTrichoderma Viriden/aMueller et al., 2013
FungiTuber Indicumn/aSplivallo et al., 2007
FungiVerticillium Longisporumn/aMueller et al., 2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBacillus Amyloliquefaciens IN937aTryptic soy agarSPME coupled with GC-MS
BacteriaBacillus Subtilis GB03Tryptic soy agarSPME coupled with GC-MS
BacteriaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes
BacteriaLactobacillus Sakei CIRM467Tcurd-based broth mediumGC/MSYes
FungiChaetomium Globosumingrain wallpaperGC/MS-SIMYes
FungiMuscodor Albus CZ-620n/aHeadspace sampler/GC-MS
FungiTrichodema PseudokoningiiLow mediumGC/MS
FungiXylaria Sp.PDA mediumSPME-GC/MSYes
FungiArmillaria MelleaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiAspergillus Flavus NRRL 18543potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiAspergillus Flavus NRRL 25347potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiAspergillus Niger NRRL 326potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiAspergillus Parasiticus NRRL 5862potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiFusarium Graminearum 15AcDONyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON 1001tayeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON ZFR 29yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_4yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_5yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_6yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_7yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_8yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 15AcDON_9yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 1002tyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 11791yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 1509yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON 8046yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON NRRL38369yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON NRRL6394yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 15yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 37yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum 3AcDON ZFR 51yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIVyeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 119yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 23yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV ZFR 48yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_5yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_6yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_7yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_8yeast extract sucrose agarSPME/GC-MS
FungiFusarium Graminearum NIV_9yeast extract sucrose agarSPME/GC-MS
FungiPenicillium Glabrum NRRL 766potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiPholiota SquarrosaMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiPleurotus CystidiosusnaGC/MS, GC-O, AEDANo
FungiPleurotus Eryngii Var. TuoliensisnaGC/MS, GC-O, AEDANo
FungiRhizopus Stolonifer NRRL 54667potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiStropharia RugosoannulataMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiTrichoderma VirideMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS
FungiTuber Indicumn/an/a
FungiVerticillium LongisporumMelin-Nor krans synthetic medium (modified)Headspace trapping ( using stir bar sorptive extraction )/ GC-MS